3-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-ethyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-ethyl-5-(2-phenyl-4-quinolinyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-ethyl-5-(2-phenylquinolin-4-yl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-ethyl-5-(2-phenyl-4-quinolyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C22H19N5S MolecularWeight: 385.48476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCC#N)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCCC#N)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H19N5S/c1-2-27-21(25-26-22(27)28-14-8-13-23)18-15-20(16-9-4-3-5-10-16)24-19-12-7-6-11-17(18)19/h3-7,9-12,15H,2,8,14H2,1H3